Methyl oct-7-ynoate
TL;DR: Methyl oct-7-ynoate (CAS 18458-50-9) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl oct-7-ynoate
Also Known As: methyl oct-7-ynoate, Methyl 7-octynoate, 7-Octynoic acid methyl ester, methyk 7-octynoate, 7-Octynoic acid, methyl ester
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 18458-50-9 |
|---|---|
| SMILES | COC(=O)CCCCCC#C |
| InChIKey | ZOSMTPMVTGVSDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl oct-7-ynoate (CAS 18458-50-9), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: methyl oct-7-ynoate.
Chemical Property Profile of Methyl oct-7-ynoate
Property Insights of Methyl oct-7-ynoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl oct-7-ynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl oct-7-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl oct-7-ynoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl oct-7-ynoate?
The CAS number of Methyl oct-7-ynoate is 18458-50-9.
What is the molecular formula of Methyl oct-7-ynoate?
The molecular formula of Methyl oct-7-ynoate is C9H14O2.
What is the molecular weight of Methyl oct-7-ynoate?
The molecular weight of Methyl oct-7-ynoate is 154.10 g/mol.
Where can I buy Methyl oct-7-ynoate?
You can request a quote for Methyl oct-7-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl oct-7-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl oct-7-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.